N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide

C15H18BrN3O — CID 66402352

IUPACN-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCNCc1cccn1CC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H18BrN3O/c1-2-17-10-12-6-5-9-19(12)11-15(20)18-14-8-4-3-7-13(14)16/h3-9,17H,2,10-11H2,1H3,(H,18,20)
InChIKeyOMDNWOGJTWMPHK-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.00
Rot. Bonds6

About N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide

N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide (PubChem CID 66402352) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
PubChem CID66402352
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
SMILESCCNCc1cccn1CC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H18BrN3O/c1-2-17-10-12-6-5-9-19(12)11-15(20)18-14-8-4-3-7-13(14)16/h3-9,17H,2,10-11H2,1H3,(H,18,20)
InChIKeyOMDNWOGJTWMPHK-UHFFFAOYSA-N
XLogP3.00
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402546
N-benzyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402920
N-tert-butyl-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66401169
N-(2-bromophenyl)-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 62223923
N-(2-bromophenyl)-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624759
N-(3-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66400972
2-[2-(ethylaminomethyl)pyrrol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 66402539
2-(3-bromo-2-oxo-1-pyridinyl)-N-(2-methylphenyl)acetamide
CID 114760909
N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide
CID 62221758
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341
N-(2-aminophenyl)-2-(3-bromo-2-oxo-1-pyridinyl)acetamide
CID 114760013
N-(2-bromophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165853

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide (CID 66402352) is N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide is CCNCc1cccn1CC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
The InChIKey is OMDNWOGJTWMPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-2-17-10-12-6-5-9-19(12)11-15(20)18-14-8-4-3-7-13(14)16/h3-9,17H,2,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide?
N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide has a molecular weight of 336.23 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 66402352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).